methyl 4-bromanyl-3-[[4-[1-cyclohexyl-5-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]benzimidazol-2-yl]phenoxy]methyl]benzoate

Systemtic Name: methyl 4-bromanyl-3-[[4-[1-cyclohexyl-5-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]benzimidazol-2-yl]phenoxy]methyl]benzoate Openeye Name: methyl 4-bromo-3-[[4-[1-cyclohexyl-5-(2-trityltetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]benzoate CAS Name: 4-bromo-3-[[4-[1-cyclohexyl-5-[2-(triphenylmethyl)-5-tetrazolyl]-2-benzimidazolyl]phenoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-bromo-3-[[4-[1-cyclohexyl-5-(2-trityltetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]benzoate Traditional Name: 4-bromo-3-[[4-[1-cyclohexyl-5-(2-trityltetrazol-5-yl)benzimidazol-2-yl]phenoxy]methyl]benzoic acid methyl ester Formula: C48H41BrN6O3 MolecularWeight: 829.78154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Br)COC2=CC=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C6=NN(N=N6)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Br)COC2=CC=C(C=C2)C3=NC4=C(N3C5CCCCC5)C=CC(=C4)C6=NN(N=N6)C(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C48H41BrN6O3/c1-57-47(56)35-24-28-42(49)36(30-35)32-58-41-26-22-33(23-27-41)46-50-43-31-34(25-29-44(43)54(46)40-20-12-5-13-21-40)45-51-53-55(52-45)48(37-14-6-2-7-15-37,38-16-8-3-9-17-38)39-18-10-4-11-19-39/h2-4,6-11,14-19,22-31,40H,5,12-13,20-21,32H2,1H3